SCHEMBL18555476

SCHEMBL18555476

COc1ccc(CNS(=O)(=O)c2cn(CC(=O)OC(C)(C)C)c3ccc(Br)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ SYK P43405 1/20 0.41
▸ NSD2 O96028 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KRAS P01116 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18578358 0.89 SMN1; SMN2 (0.47) SMN1; SMN2NSD2NPSR1TP53TSHR
SCHEMBL18555001 0.87 LMNA (0.45) SMN1; SMN2NSD2NPSR1TP53TSHR
SCHEMBL29841188 0.84 TP53 (0.39) SMN1; SMN2SYKNSD2TP53TSHR
SCHEMBL18555010 0.84 TP53 (0.39) SMN1; SMN2SYKNSD2TP53TSHR
SCHEMBL18591259 0.79 SMN1; SMN2 (0.44) SMN1; SMN2SYKNPSR1LMNAGAA
SCHEMBL18555583 0.73 KRAS (0.49) SMN1; SMN2LMNAGAAKRAS
SCHEMBL29545450 0.73 KRAS (0.49) SMN1; SMN2LMNAGAAKRAS
SCHEMBL18578589 0.73 PTGDR2 (0.41) NSD2TP53TSHRPOLBNPC1
SCHEMBL25084330 0.72 KRAS (0.51) SMN1; SMN2LMNAGAAKRAS
SCHEMBL29545410 0.72 KRAS (0.50) SMN1; SMN2LMNAGAAKRAS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 — — EP disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 — — CN disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 — — US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 — — US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 — — US disclosed
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-25 — — US disclosed
EP-3340981-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 — — EP disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — US disclosed
WO-2017035353-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 SMN1; SMN2 2468/4885SYK 792/4885NSD2 1120/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 SMN1; SMN2 2468/4885SYK 792/4885NSD2 1120/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 SMN1; SMN2 2201/4885SYK 678/4885NSD2 1085/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 SMN1; SMN2 2468/4885SYK 792/4885NSD2 1120/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 SMN1; SMN2 2468/4885SYK 792/4885NSD2 1120/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 SMN1; SMN2 2468/4885SYK 792/4885NSD2 1120/4885
US-20180305375-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 SMN1; SMN2 2468/4885SYK 792/4885NSD2 1120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback